{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mnc" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.207517 0.298379 0.5 ] [ 0.792483 0.701621 0.5 ] [ 0 0 0.246491 ] [ 0.5 0.5 0.253509 ] [ 0 0 0.753509 ] [ 0.5 0.5 0.746491 ] [ 0.201621 0.292483 0 ] [ 0.707517 0.201621 0 ] [ 0.292483 0.798379 0 ] [ 0.701621 0.207517 0.5 ] [ 0.298379 0.792483 0.5 ] [ 0.798379 0.707517 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.70141543 "source-unit" "angstrom" } "c" { "source-value" 11.0974447 "source-unit" "angstrom" } }